SCHEMBL21786568

SCHEMBL21786568

COc1cc(Cl)nc(Cl)c1CC(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 3/20 0.33
STING1 Q86WV6 1/20 0.33
ACACB O00763 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.32
STAT3 P40763 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22650639 0.84 ALDH1A1 (0.34) PDE4DALDH1A1MAPTMAPK1KDM4E
SCHEMBL31071988 0.77 NPC1 (0.40) PDE4DALDH1A1MAPTMAPK1KDM4E
SCHEMBL21767736 0.77 NPC1 (0.40) PDE4DALDH1A1MAPTMAPK1KDM4E
SCHEMBL31071972 0.74 PDE4D (0.35) PDE4DALDH1A1MAPTKDM4EPOLB
SCHEMBL21780641 0.73 PGK1 (0.40) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31071938 0.72 HTR2A (0.33)
SCHEMBL28566097 0.72 ALDH1A1 (0.32) PDE4DALDH1A1MAPTMAPK1KDM4E
SCHEMBL21767489 0.72 TAS1R3 (0.41) ALDH1A1HPGD
SCHEMBL31072041 0.71 PSMB11 (0.35) PDE4DALDH1A1MAPTKDM4EPOLB
SCHEMBL21780640 0.71 HTR2A (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PDE4D 2273/4885ALDH1A1 1504/4885MAPT 3318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.